(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

C13H19BrNO3+ — CID 7371555

IUPAC(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@@H](COc1ccccc1Br)C[NH+]1CCOCC1
InChIInChI=1S/C13H18BrNO3/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2/p+1/t11-/m1/s1
InChIKeyDJYJGXAMWIYNNM-LLVKDONJSA-O
MW317.20 g/mol
LogP0.10
Rot. Bonds5

About (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 7371555) has the molecular formula C13H19BrNO3+ and a molecular weight of 317.20 g/mol. Its IUPAC name is (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID7371555
Molecular FormulaC13H19BrNO3+
Molecular Weight317.20 g/mol
Exact Mass316.05
IUPAC Name(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@@H](COc1ccccc1Br)C[NH+]1CCOCC1
InChIInChI=1S/C13H18BrNO3/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2/p+1/t11-/m1/s1
InChIKeyDJYJGXAMWIYNNM-LLVKDONJSA-O
XLogP0.10
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413
1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
CID 7187819
(2S)-1-morpholin-4-ium-4-yl-3-(2-nitrophenoxy)propan-2-ol
CID 7378153
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
ethyl 1-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate
CID 7124046
1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
CID 44657221
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2S)-1-[2-(2-bromophenoxy)ethoxy]-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol
CID 7424723
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
2-(2-hydroxy-3-piperazin-1-ium-1-ylpropoxy)phenol
CID 145050902
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 7371555) is (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is O[C@@H](COc1ccccc1Br)C[NH+]1CCOCC1.
What is the InChIKey of (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is DJYJGXAMWIYNNM-LLVKDONJSA-O. The full InChI is InChI=1S/C13H18BrNO3/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2/p+1/t11-/m1/s1.
What are the key properties of (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 317.20 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 7371555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).